1-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-chlorophenyl)-3-(2,6-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O2/c1-26-17-11-7-12-18(27-2)19(17)20-14-8-5-6-13-23-21(14)25(24-20)16-10-4-3-9-15(16)22/h3-4,7,9-12,24H,5-6,8,13H2,1-2H3